Compound Identification
SMILES
CCOC(=O)CNC(=O)C(=O)[C@H](COCC1=CC=CC=C1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1=C(N)C=CC(Br)=C1
InChIKey
InChIKey=FWXVRSMPICJRSR-UIOOFZCWSA-N
Formula
C31H39BrN4O7
Mass
659.578
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alpha amino acid amides 2-aminobenzamides 3-halobenzoic acids and derivatives Anthranilamides Benzylethers Benzoyl derivatives Aniline and substituted anilines Bromobenzenes N-acyl amines Aryl bromides Vinylogous amides Ketones Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkyl ethers Hydrocarbon derivatives Primary amines Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Anthranilamide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-aminobenzamide - Benzylether - Aniline or substituted anilines - Benzoyl - Halobenzene - Bromobenzene - Fatty acyl - Aryl bromide - N-acyl-amine - Aryl halide - Fatty amide - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Ketone - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Amine - Primary amine - Carbonyl group - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available